Article ID Journal Published Year Pages File Type
5395035 Computational and Theoretical Chemistry 2011 7 Pages PDF
Abstract
► A new approach to handle structural distortions in coordinated molecules. ► Formulas for evaluation of the Jahn-Teller Effect, PJTE and RTE in systems with fractional charges. ► PJTE in coordinated diazene molecule. ► JTE as the origin of a butterfly geometry of coordinated white phosphorus. ► RTE in coordinated acetylene molecule.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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